N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C20H27N3O2 — CID 118762980

IUPACN-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)NCC(c2ccccc2)N2CCCCCC2)on1
InChIInChI=1S/C20H27N3O2/c1-16-13-18(25-22-16)14-20(24)21-15-19(17-9-5-4-6-10-17)23-11-7-2-3-8-12-23/h4-6,9-10,13,19H,2-3,7-8,11-12,14-15H2,1H3,(H,21,24)
InChIKeyASAALQOMHCXQRJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.26
Rot. Bonds6

About N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 118762980) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID118762980
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)NCC(c2ccccc2)N2CCCCCC2)on1
InChIInChI=1S/C20H27N3O2/c1-16-13-18(25-22-16)14-20(24)21-15-19(17-9-5-4-6-10-17)23-11-7-2-3-8-12-23/h4-6,9-10,13,19H,2-3,7-8,11-12,14-15H2,1H3,(H,21,24)
InChIKeyASAALQOMHCXQRJ-UHFFFAOYSA-N
XLogP3.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 110622231
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 97125005
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110620748
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 125175442
3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide
CID 92614545
2-(3-fluorophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179557
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179547

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 118762980) is N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)NCC(c2ccccc2)N2CCCCCC2)on1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is ASAALQOMHCXQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-16-13-18(25-22-16)14-20(24)21-15-19(17-9-5-4-6-10-17)23-11-7-2-3-8-12-23/h4-6,9-10,13,19H,2-3,7-8,11-12,14-15H2,1H3,(H,21,24).
What are the key properties of N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 341.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 118762980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).